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IBS-ZINC06758937

 MMsINC code: MMs01969032
Type: Neutral
Formula: C26H23NO4
SMILES:   o1nc(C)c(-c2ccccc2OC)c1-c1ccc(OCc2ccc(cc2)C=C)cc1O
InChI:   InChI=1/C26H23NO4/c1-4-18-9-11-19(12-10-18)16-30-20-13-14-21(23(28)15-20)26-25(17(2)27-31-26)22-7-5-6-8-24(22)29-3/h4-15,28H,1,16H2,2-3H3

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Potential Energy
Epot(MMFF94)=150.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.473 g/mol  logS: -7.76958  SlogP: 6.51962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792625  Sterimol/B1: 4.2904  Sterimol/B2: 4.57505  Sterimol/B3: 5.61027
  Sterimol/B4: 6.88025  Sterimol/L: 20.743 
 
 Surface and Volume Properties
  Accessible surface: 723.037  Positive charged surface: 436.079  Negative charged surface: 286.958  Volume: 403.25
  Hydrophobic surface: 604.623  Hydrophilic surface: 118.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.